Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4' and Ligand = 'BDBM91627'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
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